N-[2-(methylamino)propyl]-2-phenylbenzenesulfonamide;hydrochloride

C16H21ClN2O2S — CID 120825515

IUPACN-[2-(methylamino)propyl]-2-phenylbenzenesulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1ccccc1-c1ccccc1.Cl
InChIInChI=1S/C16H20N2O2S.ClH/c1-13(17-2)12-18-21(19,20)16-11-7-6-10-15(16)14-8-4-3-5-9-14;/h3-11,13,17-18H,12H2,1-2H3;1H
InChIKeyJOLQJTSCNBQLCA-UHFFFAOYSA-N
MW340.88 g/mol
LogP2.66
Rot. Bonds6

About N-[2-(methylamino)propyl]-2-phenylbenzenesulfonamide;hydrochloride

N-[2-(methylamino)propyl]-2-phenylbenzenesulfonamide;hydrochloride (PubChem CID 120825515) has the molecular formula C16H21ClN2O2S and a molecular weight of 340.88 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-phenylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2-phenylbenzenesulfonamide;hydrochloride
PubChem CID120825515
Molecular FormulaC16H21ClN2O2S
Molecular Weight340.88 g/mol
Exact Mass340.10
IUPAC NameN-[2-(methylamino)propyl]-2-phenylbenzenesulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1ccccc1-c1ccccc1.Cl
InChIInChI=1S/C16H20N2O2S.ClH/c1-13(17-2)12-18-21(19,20)16-11-7-6-10-15(16)14-8-4-3-5-9-14;/h3-11,13,17-18H,12H2,1-2H3;1H
InChIKeyJOLQJTSCNBQLCA-UHFFFAOYSA-N
XLogP2.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512552
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824589
2-bromo-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825442
N-(2-hydroxyethyl)-2-phenylbenzenesulfonamide
CID 154485495
N-[(2S)-1-methoxypropan-2-yl]-2-phenylbenzenesulfonamide
CID 39977591
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-phenylbenzenesulfonamide
CID 39982559
2,4-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824508
2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824923
N-butyl-N-methyl-2-[2-(methylamino)propylsulfamoyl]benzamide
CID 120824520
2-phenyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 70080870
2,4,5-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825556
2-chloro-4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824623

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2-phenylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-2-phenylbenzenesulfonamide;hydrochloride (CID 120825515) is N-[2-(methylamino)propyl]-2-phenylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-2-phenylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-2-phenylbenzenesulfonamide;hydrochloride is CNC(C)CNS(=O)(=O)c1ccccc1-c1ccccc1.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-2-phenylbenzenesulfonamide;hydrochloride?
The InChIKey is JOLQJTSCNBQLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S.ClH/c1-13(17-2)12-18-21(19,20)16-11-7-6-10-15(16)14-8-4-3-5-9-14;/h3-11,13,17-18H,12H2,1-2H3;1H.
What are the key properties of N-[2-(methylamino)propyl]-2-phenylbenzenesulfonamide;hydrochloride?
N-[2-(methylamino)propyl]-2-phenylbenzenesulfonamide;hydrochloride has a molecular weight of 340.88 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-2-phenylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120825515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).